2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

C19H22N4O2 — CID 138005953

IUPAC2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)Cn2nc(C#N)ccc2=O)cc1
InChIInChI=1S/C19H22N4O2/c1-13(2)10-15-4-6-16(7-5-15)14(3)21-18(24)12-23-19(25)9-8-17(11-20)22-23/h4-9,13-14H,10,12H2,1-3H3,(H,21,24)
InChIKeyBFXJXNNCFQADOC-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.19
Rot. Bonds6

About 2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (PubChem CID 138005953) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
PubChem CID138005953
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)Cn2nc(C#N)ccc2=O)cc1
InChIInChI=1S/C19H22N4O2/c1-13(2)10-15-4-6-16(7-5-15)14(3)21-18(24)12-23-19(25)9-8-17(11-20)22-23/h4-9,13-14H,10,12H2,1-3H3,(H,21,24)
InChIKeyBFXJXNNCFQADOC-UHFFFAOYSA-N
XLogP2.19
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 8632487
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634209
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490280
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 87022626
3-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 25476341
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 55443771
2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 9223336
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 92786542

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (CID 138005953) is 2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is CC(C)Cc1ccc(C(C)NC(=O)Cn2nc(C#N)ccc2=O)cc1.
What is the InChIKey of 2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The InChIKey is BFXJXNNCFQADOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)10-15-4-6-16(7-5-15)14(3)21-18(24)12-23-19(25)9-8-17(11-20)22-23/h4-9,13-14H,10,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-oxopyridazin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 138005953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).